Lysobactin
AlkaPlorer ID: AK076833
Synonym: None
IUPAC Name: (2R)-2-amino-N-[(2S)-1-[[(3S,6S,12S,15S,18R,21S,24S,27S,28R)-6-[(1S)-2-amino-1-hydroxy-2-oxoethyl]-15-[(2S)-butan-2-yl]-18-[3-(diaminomethylideneamino)propyl]-12-[(1S)-1-hydroxyethyl]-3-(hydroxymethyl)-24-[(1R)-1-hydroxy-2-methylpropyl]-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-phenyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H]([C@H](O)C(C)C)N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](N)CC(C)C)[C@@H](C2=CC=CC=C2)OC(=O)[C@H](CO)N=C(O)[C@H]([C@H](O)C(=N)O)N=C(O)CN=C(O)[C@H]([C@H](C)O)N=C1O
InChI: InChI=1S/C58H97N15O17/c1-12-30(10)39-53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(73-51(83)36(23-28(6)7)66-48(80)33(59)21-26(2)3)56(88)72-41(44(77)29(8)9)54(86)67-35(22-27(4)5)50(82)65-34(49(81)70-39)19-16-20-63-58(61)62/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)/t30-,31-,33+,34+,35-,36-,37-,39-,40-,41-,42-,43-,44+,45-,46+/m0/s1
InChIKey: KQMKBWMQSNKASI-AVSFGBOWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lysobacter sp. | Lysobacter | Xanthomonadaceae | Xanthomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1276.5020000000002
TPSA？: 565.1200000000001
MolLogP？: 4.22804000000001
Number of H-Donors: 20
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|